3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione

C14H16N2OS2 — CID 91289516

IUPAC3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESCCN1C=CC=CC1=C=Cc1sc(=S)n(CC)c1O
InChIInChI=1S/C14H16N2OS2/c1-3-15-10-6-5-7-11(15)8-9-12-13(17)16(4-2)14(18)19-12/h5-7,9-10,17H,3-4H2,1-2H3
InChIKeyFCHCVAVMAXFHTF-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.91
Rot. Bonds3

About 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione

3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione (PubChem CID 91289516) has the molecular formula C14H16N2OS2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione.

Molecular Properties

Compound Name3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione
PubChem CID91289516
Molecular FormulaC14H16N2OS2
Molecular Weight292.43 g/mol
Exact Mass292.07
IUPAC Name3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione
SMILESCCN1C=CC=CC1=C=Cc1sc(=S)n(CC)c1O
InChIInChI=1S/C14H16N2OS2/c1-3-15-10-6-5-7-11(15)8-9-12-13(17)16(4-2)14(18)19-12/h5-7,9-10,17H,3-4H2,1-2H3
InChIKeyFCHCVAVMAXFHTF-UHFFFAOYSA-N
XLogP3.91
TPSA28.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-ethyl-5-[2-(3-ethyl-5-phenyl-1,3-benzoxazol-2-ylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione
CID 90919781
5-(benzimidazol-2-ylidenemethyl)-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 1311812
3-ethyl-4-hydroxy-5-[[3-(trifluoromethyl)phenyl]iminomethyl]-1,3-thiazole-2-thione
CID 4604201
5-[(Z)-(2,5-dimethylindol-3-ylidene)methyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 137268672
2-[5-[2-(1-ethyl-3,3-dimethylindol-2-ylidene)ethenyl]-4-hydroxy-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid
CID 91578175
5-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]iminomethyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 135895122
5-(1H-benzimidazol-2-yliminomethyl)-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 1325662
3-ethyl-4-hydroxy-5-(pyrrolo[3,2-b]pyridin-3-ylidenemethyl)-1,3-thiazole-2-thione
CID 172749622
3-[(3-ethyl-4-hydroxy-2-sulfanylidene-1,3-thiazol-5-yl)methylidene]-6-methoxyindole-2-carboxylic acid
CID 137091562
5-[(4-chlorophenyl)diazenyl]-3-ethyl-4-hydroxy-1,3-thiazole-2-thione
CID 135672436
4-(4-hydroxy-5-propa-1,2-dienyl-2-sulfanylidene-1,3-thiazol-3-yl)butanoic acid
CID 91249902
1,3-diethyl-6-hydroxy-5-(2-pyran-4-ylideneethenyl)-2-sulfanylidenepyrimidin-4-one
CID 91184045

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione?
The IUPAC name of 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione (CID 91289516) is 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione.
What is the SMILES notation for 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione?
The canonical SMILES for 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione is CCN1C=CC=CC1=C=Cc1sc(=S)n(CC)c1O.
What is the InChIKey of 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione?
The InChIKey is FCHCVAVMAXFHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2OS2/c1-3-15-10-6-5-7-11(15)8-9-12-13(17)16(4-2)14(18)19-12/h5-7,9-10,17H,3-4H2,1-2H3.
What are the key properties of 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione?
3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione has a molecular weight of 292.43 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[2-(1-ethyl-2-pyridinylidene)ethenyl]-4-hydroxy-1,3-thiazole-2-thione is sourced from PubChem (CID 91289516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).